@<TRIPOS>MOLECULE
119057574
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.6459    -0.3293     1.4080	S.3	1	noname	-0.1771
2	O1    -1.0925    -2.6362    -0.5219	O.2	1	noname	-0.2961
3	O2     0.6507     0.9557    -2.4689	O.2	1	noname	-0.2899
4	O3    -6.2357     0.0246     1.1589	O.3	1	noname	-0.2140
5	O4    -4.1398    -0.5882     1.7107	O.2	1	noname	-0.2496
6	O5     5.4383     1.5357    -3.1298	O.3	1	noname	-0.2148
7	O6     4.7623     1.0845    -1.0293	O.2	1	noname	-0.2506
8	N1     0.1960    -0.8584    -0.3121	N.3	1	noname	-0.0715
9	N2    -4.7071     2.2221    -0.0100	N.3	1	noname	-0.3194
10	N3     2.3283     1.8448    -1.3240	N.3	1	noname	-0.0674
11	C1    -2.8267     0.6708    -0.1744	C.3	1	noname	-0.0201
12	C2     0.5585     0.5251    -0.1389	C.3	1	noname	0.0965
13	C3    -2.4498    -0.8168    -0.3363	C.3	1	noname	0.0232
14	C4    -4.3500     0.8127    -0.1634	C.3	1	noname	0.0917
15	C5    -1.0719    -1.3935    -0.3955	C.2	1	noname	0.0407
16	C6     1.1811     0.7067     1.2632	C.3	1	noname	0.0146
17	C7     1.2291     1.0634    -1.3541	C.2	1	noname	0.0492
18	C8    -4.9020     0.0469     0.9503	C.2	1	noname	0.1437
19	C9     3.1351     1.9712    -2.4734	C.3	1	noname	0.0888
20	C10     4.4865     1.5075    -2.1728	C.2	1	noname	0.1423
21	H1    -2.4197     1.0488     0.7635	H	1	noname	0.0293
22	H2    -2.4145     1.2426    -1.0059	H	1	noname	0.0293
23	H3    -0.2763     1.1929    -0.0948	H	1	noname	0.0575
24	H4    -3.0691    -1.4226     0.3252	H	1	noname	0.0361
25	H5    -2.8784    -1.1136    -1.2936	H	1	noname	0.0361
26	H6    -4.7570     0.4348    -1.1013	H	1	noname	0.0571
27	H7     0.9380    -1.5083    -0.3819	H	1	noname	0.1318
28	H8     0.4552     0.4178     2.0232	H	1	noname	0.0399
29	H9     1.4592     1.7510     1.4047	H	1	noname	0.0399
30	H10     2.5637     2.3196    -0.5115	H	1	noname	0.1316
31	H11    -5.7247     2.3169    -0.0026	H	1	noname	0.1191
32	H12    -4.3255     2.5765     0.8694	H	1	noname	0.1191
33	H13     2.7156     1.3697    -3.2798	H	1	noname	0.0541
34	H14     3.1695     3.0167    -2.7799	H	1	noname	0.0541
35	H15     3.1940    -0.1694     2.6423	H	1	noname	0.1022
36	H16    -6.6549    -0.7623     1.5656	H	1	noname	0.2213
37	H17     6.1619     0.8749    -3.1208	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	16	1
2	1	35	1
3	2	15	2
4	3	17	2
5	4	18	1
6	4	36	1
7	5	18	2
8	6	20	1
9	6	37	1
10	7	20	2
11	12	8	1
12	8	15	1
13	8	27	1
14	14	9	1
15	9	31	1
16	9	32	1
17	10	17	1
18	10	19	1
19	10	30	1
20	11	13	1
21	11	14	1
22	11	21	1
23	11	22	1
24	12	16	1
25	12	17	1
26	12	23	1
27	13	15	1
28	13	24	1
29	13	25	1
30	14	18	1
31	14	26	1
32	16	28	1
33	16	29	1
34	19	20	1
35	19	33	1
36	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1